Crystallography Open Database

Information card for entry 7125873

Preview

Coordinates	7125873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Dy3 O22
Calculated formula	C32 H33 Dy3 O21
Title of publication	Unprecedented one-dimensional chain and two-dimensional network dysprosium(iii) single-molecule toroics with white-light emission.
Authors of publication	Zhong, Li; Chen, Wen-Bin; OuYang, Zhi-Jian; Yang, Meng; Zhang, Yi-Quan; Gao, Song; Schulze, Michael; Wernsdorfer, Wolfgang; Dong, Wen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	17
Pages of publication	2590 - 2593
a	24.294 ± 0.0002 Å
b	18.1452 ± 0.0002 Å
c	22.5707 ± 0.0002 Å
α	90°
β	105.538 ± 0.001°
γ	90°
Cell volume	9585.98 ± 0.16 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248807 (current)	2020-03-05	cif/ Updating files of 7125873, 7125874 Original log message: Adding full bibliography for 7125873--7125874.cif.	7125873.cif
247274	2020-01-28	cif/ Adding structures of 7125873, 7125874 via cif-deposit CGI script.	7125873.cif